NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5735 8.3649 120.1916 53.8872 42.4055 174.7449 2 V 3.6553 8.1375 111.4343 59.0859 32.1484 173.7870 3 P 4.5576 0.0000 0.0000 62.3146 32.9482 177.4683 4 K 4.0162 8.6083 119.2876 59.5267 32.0535 179.5556 5 S 4.4522 8.1369 114.6831 60.7898 62.7929 175.6328 6 D 4.4327 8.3543 121.7849 57.1304 40.8185 178.0235 7 Q 4.0508 7.9266 116.9595 58.1910 29.0780 177.8984 8 F 4.2996 7.8546 119.2065 60.3434 38.9183 178.1495 9 V 3.9674 7.8084 110.4221 63.4381 31.4769 178.3770 10 G 3.9864 7.9971 105.7209 47.7107 0.0000 174.7497 11 L 4.1404 7.7153 120.0879 58.0835 41.2030 176.3613 12 M 4.2020 7.7111 122.3128 55.3536 32.0597 175.4284 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 D 8.36 4.57 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 8.14 3.66 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.93 0.00 0.00 3 P 0.00 4.56 0.00 2.25 2.19 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 4 K 8.61 4.02 0.00 1.90 2.02 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.52 7.81 5 S 8.14 4.45 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.35 4.43 0.00 2.80 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.93 4.05 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 8 F 7.85 4.30 0.00 3.21 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.81 3.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.08 0.00 0.00 10 G 8.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.72 4.14 0.00 1.75 1.79 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 12 M 7.71 4.20 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00